Methyl 4-(7,8,9,10-tetrahydro-5,7,7,10,10-pentamethyl-2-nitro-5H-benzo[b]naphtho[2,3-e][1,4]diazepin-12-yl)benzoate

Base Information

Chemical Name:Methyl 4-(7,8,9,10-tetrahydro-5,7,7,10,10-pentamethyl-2-nitro-5H-benzo[b]naphtho[2,3-e][1,4]diazepin-12-yl)benzoate
CAS No.:188845-12-7
Molecular Formula:C₃₀H₃₁N₃O₄
Molecular Weight:497.594
Hs Code.:
DSSTox Substance ID:DTXSID901106587

Synonyms:DTXSID901106587;188845-12-7;Methyl 4-(7,8,9,10-tetrahydro-5,7,7,10,10-pentamethyl-2-nitro-5H-benzo[b]naphtho[2,3-e][1,4]diazepin-12-yl)benzoate

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Methyl 4-(7,8,9,10-tetrahydro-5,7,7,10,10-pentamethyl-2-nitro-5H-benzo[b]naphtho[2,3-e][1,4]diazepin-12-yl)benzoate

Chemical Property:

XLogP3:7.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:497.23145648
Heavy Atom Count:37
Complexity:916

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1(CCC(C2=C1C=C3C(=C2)N(C4=C(C=C(C=C4)[N+](=O)[O-])N=C3C5=CC=C(C=C5)C(=O)OC)C)(C)C)C

Technology Process of Methyl 4-(7,8,9,10-tetrahydro-5,7,7,10,10-pentamethyl-2-nitro-5H-benzo[b]naphtho[2,3-e][1,4]diazepin-12-yl)benzoate

There total 5 articles about Methyl 4-(7,8,9,10-tetrahydro-5,7,7,10,10-pentamethyl-2-nitro-5H-benzo[b]naphtho[2,3-e][1,4]diazepin-12-yl)benzoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 45.5%

: 188844-81-7
2-[amido-4-benzoic acid methyl ester]-1-methylamino[1,2,3,4-tetrahydro-1,1,4,4-tetramethylnaphthalene]-4-nitrobenzene

: 188845-12-7
methyl 4-(5H-2,3-(2,5-dimethyl-2,5-hexano)-5-methyl-8-nitrodibenzo[b,e][1,4]diazepin-11-yl)benzoate

Guidance literature:: With sulfuric acid; potassium nitrate; at 0 ℃; for 2.5h;
DOI:10.1248/cpb.47.1778

Reference yield:

: 2-nitro-1-methylamino-[1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-naphthalene]benzene

: 188845-12-7
methyl 4-(5H-2,3-(2,5-dimethyl-2,5-hexano)-5-methyl-8-nitrodibenzo[b,e][1,4]diazepin-11-yl)benzoate

Guidance literature:: Multi-step reaction with 4 steps

1: ethanol / 1 h

2: pyridine / benzene / 4 h

3: polyphosphoric acid / 18 h / 110 °C

4: sulfuric acid; potassium nitrate / benzene / 2.5 h / 0 °C

With pyridine; ethanol; sulfuric acid; potassium nitrate; In benzene;

Reference yield:

: 2-[amido-4-benzoic acid methyl-ester]-1-methyl-amino[1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-naphthalene]-benzene

: 188845-12-7
methyl 4-(5H-2,3-(2,5-dimethyl-2,5-hexano)-5-methyl-8-nitrodibenzo[b,e][1,4]diazepin-11-yl)benzoate

Guidance literature:: Multi-step reaction with 2 steps

1: polyphosphoric acid / 18 h / 110 °C

2: sulfuric acid; potassium nitrate / benzene / 2.5 h / 0 °C

With sulfuric acid; potassium nitrate; In benzene;